%chk=000161665.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161665

0 1
 O    4.888000      -1.285500      0.2174000    
 O   -4.452200       2.051600      0.5185000    
 O   -5.715400     -0.2939000     -0.2678000    
 O    6.264200       1.025800     -0.3757000    
 N   0.6370000      -1.369200     -0.1683000    
 C  -4.5899998E-02 -0.1603000      0.3545000    
 C   0.5930000       1.066400     -0.3423000    
 C  -5.6499999E-02  -2.595200      0.2359000    
 C   -1.562000     -0.1884000      0.1704000    
 C    2.039800      -1.402300      0.2797000    
 C   -1.428600      -2.640700     -0.4315000    
 C   -2.217100      -1.383500     -0.1829000    
 C    2.102100       1.047700     -0.3328000    
 C    2.795200     -0.1435000     -6.7299999E-02
 C   -2.341100      0.9533000      0.4229000    
 C   -3.610700      -1.401900     -0.3426000    
 C    4.196600     -0.1444000     -7.1500003E-02
 C    2.819200       2.212500     -0.6376000    
 C   -3.729000      0.9227000      0.2749000    
 C   -4.362900     -0.2522000     -0.1148000    
 C    4.901800       1.022300     -0.3656000    
 C    4.213600       2.198900     -0.6516000    
 C    5.218800      -1.510700       1.585000    
 C   -4.915800       2.248600       1.852600    
 C   -6.232100      2.1800000E-02  -1.559300    
 H   0.1289000     -9.3699999E-02   1.439200    
 H   0.2645000       1.986600      0.1557000    
 H   0.2618000       1.120600      -1.388500    
 H  -0.1558000      -2.649900       1.328400    
 H   0.5065000      -3.480200     -8.5299999E-02
 H    2.531600      -2.252500     -0.2088000    
 H    2.091700      -1.552700       1.365700    
 H   -1.977300      -3.508500     -4.6200000E-02
 H   -1.315300      -2.771200      -1.515300    
 H   -1.871600       1.879300      0.7448000    
 H   -4.110100      -2.321900     -0.6385000    
 H    2.293500       3.136700     -0.8638000    
 H    4.750200       3.114400     -0.8859000    
 H    6.577400       1.919500     -0.5977000    
 H    5.681100      -2.498300       1.666700    
 H    4.327100      -1.490500       2.218400    
 H    5.937200     -0.7609000       1.930900    
 H   -4.071300       2.324600       2.544800    
 H   -5.577800       1.431100       2.155500    
 H   -5.479600       3.185000       1.884700    
 H   -5.860900     -0.6886000      -2.304700    
 H   -5.959500       1.042900      -1.844300    
 H   -7.322300     -5.0700001E-02  -1.519200    


%chk=000161665-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000161665

0 1
O 4.786883 -1.387335 0.527920
O -4.458956 2.107809 0.528928
O -5.813834 -0.353914 -0.312831
O 6.333230 0.956116 -0.139458
N 0.622786 -1.436746 -0.066429
C -0.055478 -0.174602 0.323333
C 0.569171 0.957619 -0.532564
C -0.104369 -2.659469 0.329753
C -1.575424 -0.247608 0.153552
C 2.034717 -1.462738 0.368306
C -1.437866 -2.726076 -0.431011
C -2.237135 -1.449458 -0.218648
C 2.085255 0.975666 -0.414061
C 2.777970 -0.184116 0.017138
C -2.350781 0.910146 0.410695
C -3.644478 -1.445136 -0.375976
C 4.192869 -0.169778 0.143985
C 2.822054 2.144767 -0.718009
C -3.750794 0.905866 0.273614
C -4.407040 -0.282236 -0.159092
C 4.920718 0.999846 -0.203610
C 4.227283 2.158630 -0.618703
C 5.874543 -1.360696 1.526856
C -5.394656 2.030126 1.674300
C -6.357554 0.524685 -1.374505
H 0.154086 0.058838 1.403852
H 0.160971 1.940309 -0.230648
H 0.265734 0.785611 -1.583430
H -0.292072 -2.699878 1.434126
H 0.525920 -3.530624 0.071697
H 2.537991 -2.322045 -0.109862
H 2.125187 -1.631650 1.475287
H -2.026123 -3.603412 -0.100447
H -1.217862 -2.862203 -1.507881
H -1.880483 1.843247 0.740098
H -4.173487 -2.356841 -0.676037
H 2.292905 3.049807 -1.037315
H 4.790388 3.067291 -0.871379
H 6.711180 1.810339 -0.464752
H 6.087449 -2.420530 1.735772
H 5.538022 -0.854965 2.452693
H 6.766142 -0.852094 1.128371
H -4.834030 1.851526 2.611891
H -6.137874 1.226100 1.524186
H -5.890836 3.012000 1.716306
H -5.977109 0.204811 -2.363394
H -6.085355 1.580057 -1.192421
H -7.449856 0.393933 -1.333396


